IBS-ZINC02102587 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 1.0450 0.4700 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.9070 0.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -1.2560 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -0.4030 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -0.8930 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -2.2400 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -3.1030 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -2.6040 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -4.4170 0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -5.3480 0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -2.7880 -0.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6520 -3.7840 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 -3.0420 -1.7660 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9740 -3.8090 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -3.6590 -2.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -4.0440 -4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -2.8730 -4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5090 -2.2520 -3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -1.8320 -2.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.9670 -1.2700 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -0.9040 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3380 -1.8610 1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -2.0840 2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5570 -2.5810 2.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4200 -1.7350 4.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5690 -1.8950 5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 -2.7660 6.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -2.2300 7.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 -2.0520 6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 -1.1990 4.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 -0.7980 -2.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 0.5840 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 0.8090 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 1.0850 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 0.6480 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -0.1840 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 -3.2450 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -5.3490 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -5.1530 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -6.3470 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -2.9550 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -4.5550 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -4.4130 -4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -4.8710 -3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -2.1130 -5.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 -3.2140 -5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 -1.3820 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 -2.9730 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -0.3670 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7780 -1.9990 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 -0.0850 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -0.5960 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -0.8420 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -2.5990 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8670 -0.8930 5.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4220 -2.3310 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0510 -2.8110 7.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0100 -3.7910 5.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 -1.2660 7.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -2.9150 7.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9550 -1.5930 6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -3.0390 5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -1.1470 4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -0.1740 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 -0.2220 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -2.1000 0.5000 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.5060 -2.7930 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 66 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 66 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 66 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END